N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide

C15H29N3O2S2 — CID 58821375

IUPACN-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)N(C)C[C@@H](NC(C)C)C(C)(C)C)s1
InChIInChI=1S/C15H29N3O2S2/c1-10(2)16-13(15(5,6)7)9-18(8)22(19,20)14-11(3)17-12(4)21-14/h10,13,16H,9H2,1-8H3/t13-/m1/s1
InChIKeyCQFXKYUEAMSUOB-CYBMUJFWSA-N
MW347.55 g/mol
LogP2.79
Rot. Bonds6

About N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide

N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 58821375) has the molecular formula C15H29N3O2S2 and a molecular weight of 347.55 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide
PubChem CID58821375
Molecular FormulaC15H29N3O2S2
Molecular Weight347.55 g/mol
Exact Mass347.17
IUPAC NameN-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)N(C)C[C@@H](NC(C)C)C(C)(C)C)s1
InChIInChI=1S/C15H29N3O2S2/c1-10(2)16-13(15(5,6)7)9-18(8)22(19,20)14-11(3)17-12(4)21-14/h10,13,16H,9H2,1-8H3/t13-/m1/s1
InChIKeyCQFXKYUEAMSUOB-CYBMUJFWSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide (CID 58821375) is N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)N(C)C[C@@H](NC(C)C)C(C)(C)C)s1.
What is the InChIKey of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is CQFXKYUEAMSUOB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H29N3O2S2/c1-10(2)16-13(15(5,6)7)9-18(8)22(19,20)14-11(3)17-12(4)21-14/h10,13,16H,9H2,1-8H3/t13-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide?
N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 347.55 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 58821375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).